methyl 2-[(Z)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enoxy]ethanoate

Systemtic Name: methyl 2-[(Z)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enoxy]ethanoate Openeye Name: methyl 2-[(Z)-1-(4-chloro-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enoxy]acetate CAS Name: 2-[(Z)-1-(4-chloro-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxopent-1-enoxy]acetic acid methyl ester IUPAC Name: methyl 2-[(Z)-1-(4-chloro-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxopent-1-enoxy]acetate Traditional Name: 2-[(Z)-1-(4-chloro-2-nitro-phenyl)-2-cyano-3-keto-4,4-dimethyl-pent-1-enoxy]acetic acid methyl ester Formula: C17H17ClN2O6 MolecularWeight: 380.77968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=C(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])OCC(=O)OC)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C(/C1=C(C=C(C=C1)Cl)[N+](=O)[O-])\OCC(=O)OC)/C#N

InChI

InChI=1S/C17H17ClN2O6/c1-17(2,3)16(22)12(8-19)15(26-9-14(21)25-4)11-6-5-10(18)7-13(11)20(23)24/h5-7H,9H2,1-4H3/b15-12-